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Issue 6, 2016
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The structures and properties of proton- and alkali-bound cysteine dimers

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Abstract

The proton-, lithium-, and sodium-bound cysteine dimers have been investigated in a joint computational and experimental infrared multiple photon dissociation (IRMPD) study. IRMPD spectra in the 1000–2000 cm−1 region show that protonation is localized on an amine group, and that intermolecular hydrogen bonding occurs between the protonated amine and the carbonyl oxygen of the neutral Cys moiety. Alkali-bound dimers adopt structures reminiscent of those observed for the monomeric Cys·Li+ and Cys·Na+ species. Calculations of the heavier Cys2·M+ (M = K, Rb or Cs) species suggest that these are significantly less strongly bound than the lighter (M = H, Li, or Na) dimers.

Graphical abstract: The structures and properties of proton- and alkali-bound cysteine dimers

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The article was received on 01 Dec 2015, accepted on 15 Jan 2016 and first published on 15 Jan 2016


Article type: Paper
DOI: 10.1039/C5CP07414B
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Citation: Phys. Chem. Chem. Phys., 2016,18, 4704-4710
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    The structures and properties of proton- and alkali-bound cysteine dimers

    C. Ieritano, P. J. J. Carr, M. Hasan, M. Burt, R. A. Marta, V. Steinmetz, E. Fillion, T. B. McMahon and W. Scott Hopkins, Phys. Chem. Chem. Phys., 2016, 18, 4704
    DOI: 10.1039/C5CP07414B

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